SCHEMBL3346532

SCHEMBL3346532

CC(C)(C)Nc1cc(-c2ccc(Br)s2)nc2ccnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 3/20 0.38
PPARG P37231 2/20 0.38
NCOA2 Q15596 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL7902940 0.87 PDE10A (0.35) CDK2PDE10ACCNE1CCNT1CDK9
SCHEMBL3346499 0.79 CDK2 (0.35) CDK2PDE10ACCNE1CCNT1CDK9
SCHEMBL3346746 0.78 KCNN1 (0.38) CDK2KDM4ERXFP1ALDH1A1PDE10A
SCHEMBL3351283 0.77 PDE10A (0.53) CDK2RAB9ASMN1; SMN2NPC1ALOX12
SCHEMBL3351751 0.76 CDK2 (0.38) CDK2PDE10ACCNE1CCNT1CDK9
SCHEMBL3347648 0.76 GRM5 (0.33) CDK2RAB9ANPC1KDM4EMAPT
SCHEMBL3351298 0.76 GRM5 (0.33)
SCHEMBL3346510 0.76 GRM5 (0.37) PDE10A
SCHEMBL3345946 0.76 GRM5 (0.39) CDK2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL3347209 0.76 KCNN3 (0.36) CDK2PDE10ACCNE1CCNT1CDK9

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-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed