SCHEMBL19236792

SCHEMBL19236792

CC(C)COC(=O)Cn1nc(C#N)c2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ MAPK8 P45983 3/20 0.42
▸ PFKFB2 O60825 1/20 0.40
▸ PFKFB1 P16118 1/20 0.40
▸ PFKFB3 Q16875 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ RET P07949 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.37
▸ MST1R Q04912 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ CAMK1D Q8IU85 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19236947 0.87 SMN1; SMN2 (0.43) MAPTPFKFB2PFKFB1PFKFB3TP53
SCHEMBL19208697 0.82 MAPT (0.48) MAPTMAPK8PFKFB2PFKFB1PFKFB3
SCHEMBL19236948 0.80 PFKFB2 (0.41) MAPTPFKFB2PFKFB1PFKFB3TP53
SCHEMBL19208377 0.80 MAPK8 (0.48) MAPTMAPK8TSHR
SCHEMBL19237004 0.79 ELANE (0.39) MAPTPFKFB2PFKFB1PFKFB3TP53
SCHEMBL16440327 0.74 MAPK8 (0.42) MAPTMAPK8ALDH1A1MAPK1TDP1
SCHEMBL15541589 0.70 HTR6 (0.39) MAPTPFKFB2PFKFB1PFKFB3ALDH1A1
SCHEMBL15542673 0.70 ELANE (0.39) MAPTPFKFB2PFKFB1PFKFB3ALDH1A1
SCHEMBL15541536 0.69 AR (0.44) MAPTPFKFB2PFKFB1PFKFB3CDK9
SCHEMBL19208493 0.69 SMN1; SMN2 (0.45) MAPTPFKFB2PFKFB1PFKFB3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411411-B3 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2022-01-26 — — EP disclosed
EP-3925956-A1 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BioCryst Pharmaceuticals, Inc. (US) 2021-12-22 — — EP disclosed
EP-3411411-B1 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2021-05-19 — — EP disclosed
WO-2017136395-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF BIOCRYST PHARMACEUTICALS, INC. (US) 2017-08-10 — — WO disclosed
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