SCHEMBL5554340

SCHEMBL5554340

CC(C)c1cc2c(N)nc(C3CCN(Cc4cc(F)cc(F)c4)CC3)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.40
ADORA2A P29274 10/20 0.40
ACHE P22303 3/20 0.36
MAP4K4 O95819 5/20 0.35
CDK2 P24941 1/20 0.34
FLT3 P36888 1/20 0.34
CDK6 Q00534 1/20 0.34

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
SCHEMBL1604098 0.71 MEN1 (0.58)
SCHEMBL5559216 0.71 ACHE (0.41) ACHEMAP4K4
SCHEMBL2357821 0.68 ADORA2A (0.57) ADORA1ADORA2A
SCHEMBL11200730 0.63 KDM4E (0.49)
SCHEMBL2303521 0.63 ADORA2A (0.82) ADORA1ADORA2A
SCHEMBL1604858 0.63 SIGMAR1 (0.46) ACHEMAP4K4
SCHEMBL8108284 0.63 SIGMAR1 (0.46) ACHEMAP4K4
SCHEMBL11197383 0.62 ADORA2A (0.39) ADORA1ADORA2A
SCHEMBL3298977 0.62 ADORA2A (0.61) ADORA1ADORA2A
SCHEMBL5559357 0.61 CHRNB2 (0.45) FLT3

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-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 EP disclosed
WO-2006034511-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE, INC. (US) 2006-03-30 WO disclosed