SCHEMBL16331998

SCHEMBL16331998

CNc1nc2cnc(Nc3cccc(NS(C)(=O)=O)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.55
▸ CCNT1 O60563 2/20 0.46
▸ CDK9 P50750 2/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ ABL2 P42684 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ MNAT1 P51948 1/20 0.46
▸ FYN P06241 3/20 0.44
▸ TGFBR1 P36897 1/20 0.44
▸ ACVR1 Q04771 1/20 0.44
▸ RET P07949 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42

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
SCHEMBL16332766 0.87 PIK3CA (0.44) FYNACVR1BRAFALDH1A1CYP1A2
SCHEMBL16331561 0.87 BRAF (0.56) PTK2FYNBRAF
SCHEMBL16332000 0.86 BRAF (0.53) PTK2ACVR1BRAF
SCHEMBL16331795 0.86 BRAF (0.43) PTK2ACVR1RETTUBB4ATUBB
SCHEMBL16331745 0.85 BRAF (0.42) TGFBR1ACVR1BRAF
SCHEMBL16332689 0.82 MEN1 (0.51) PTK2FYNACVR1RETLRRK2
SCHEMBL16331973 0.81 BRAF (0.51) ACVR1RETJAK3BRAF
SCHEMBL16331454 0.81 BRAF (0.49) PTK2TGFBR1JAK2BRAF
SCHEMBL16332023 0.81 SMN1; SMN2 (0.42) FYNACVR1TUBB4ATUBBTUBA3C
SCHEMBL16331533 0.80 BRAF (0.54) FYNBRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP claimed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP disclosed
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