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SCHEMBL4024014

SCHEMBL4024014

O=C(NC1CCN(c2ncnc3c(F)cc(F)cc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2ncnc3cc(N4CCOCC4)ccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 2/20 0.52
▸ PRKDC P78527 14/20 0.48
▸ CNR1 P21554 2/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ KCNH2 Q12809 2/20 0.42
▸ MAP3K5 Q99683 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
SCHEMBL4021294 0.91 PAK1 (0.61) PAK1PRKDC
SCHEMBL4582674 0.88 PAK1 (0.65) PAK1CNR1CNR2MAP3K5
SCHEMBL4018639 0.86 PAK1 (0.42) PAK1PRKDCCNR1CNR2KCNH2
SCHEMBL4025750 0.82 PAK1 (0.66) PAK1CNR1CNR2MAP3K5
SCHEMBL4024828 0.81 PAK1 (0.51) PAK1CNR1CNR2MAP3K5
SCHEMBL4017243 0.80 PAK1 (0.49) PAK1PRKDCMAP3K5
SCHEMBL4023766 0.79 PAK1 (0.66) PAK1CNR1CNR2MAP3K5
SCHEMBL4024568 0.79 PAK1 (0.68) PAK1CNR1CNR2MAP3K5
SCHEMBL4019364 0.79 PAK1 (0.68) PAK1CNR1CNR2MAP3K5
SCHEMBL4016900 0.79 PAK1 (0.54) PAK1PRKDCCNR1CNR2MAP3K5

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-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 — — EP disclosed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 — — WO disclosed