SCHEMBL8308249

SCHEMBL8308249

CC1CCC(Nc2ncnc3cnc(F)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD38 P28907 2/20 0.56
IRAK4 Q9NWZ3 14/20 0.54
USP2 O75604 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6363714 1.00 CD38 (0.56) CD38IRAK4USP2LMNACYP1A2
SCHEMBL6363717 1.00 CD38 (0.56) CD38IRAK4USP2LMNACYP1A2
SCHEMBL6363833 0.86 CD38 (0.54) CD38IRAK4
SCHEMBL6368111 0.86 CD38 (0.54) CD38IRAK4
SCHEMBL6367334 0.86 CD38 (0.54) CD38IRAK4
SCHEMBL6363835 0.84 IRAK4 (0.49) IRAK4
SCHEMBL6364052 0.82 IRAK4 (0.47) IRAK4
SCHEMBL6368146 0.77 GRM1 (0.55) IRAK4USP2LMNACYP1A2CYP3A4
SCHEMBL17656889 0.76 IRAK4 (0.78) CD38IRAK4USP2LMNACYP1A2
SCHEMBL23806243 0.74 IRAK4 (0.81) IRAK4

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
WO-2005016925-A1 AZAQUINAZOLINE DERIVATIVES PFIZER LIMITED (GB) 2005-02-24 WO disclosed