SCHEMBL18654755

SCHEMBL18654755

CC1(C)CCN(c2ccc3ncc(C(O)Nc4cccnn4)n3n2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.35
▸ AR P10275 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ AAK1 Q2M2I8 3/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.31
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ MAP3K7 O43318 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ RET P07949 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CSNK1E P49674 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18654754 0.83 NTRK1 (0.38) IRAK4NTRK1
SCHEMBL14897195 0.81 IRAK4 (0.43) SYKARKCNH2RXFP1IRAK4
SCHEMBL18654799 0.78 PIM1 (0.40) AAK1RXFP1IRAK4NTRK1DYRK1A
SCHEMBL18655071 0.73 GBA1 (0.33) ARKCNH2MAPTCSNK1EALDH1A1
SCHEMBL16193131 0.72 IRAK4 (0.42) ARKCNH2IRAK4NTRK1DYRK1A
SCHEMBL14897190 0.71 PTPN11 (0.46) SYKRXFP1IRAK4KMT2ANTRK1
SCHEMBL18655322 0.70 GSK3B (0.38) ARKCNH2RXFP1IRAK4NTRK1
SCHEMBL14897792 0.70 IRAK4 (0.45) ARKCNH2RXFP1IRAK4NTRK1
SCHEMBL14897193 0.69 PTPN11 (0.47) IRAK4DYRK1ALMNAALDH1A1SMN1; SMN2
SCHEMBL18655324 0.68 KDM4E (0.40) RXFP1IRAK4DYRK1ACSNK1EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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