SCHEMBL7846384

SCHEMBL7846384

Cc1ccccc1-c1cc(N)n2nccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 5/20 0.55
CCNA2 P20248 4/20 0.55
CDK2 P24941 4/20 0.55
CCNA1 P78396 4/20 0.55
CCNT1 O60563 4/20 0.55
CDK1 P06493 3/20 0.55
CDK4 P11802 3/20 0.55
CCND1 P24385 3/20 0.55
CCNE1 P24864 3/20 0.55
CDK7 P50613 3/20 0.55
CCNH P51946 3/20 0.55
CDK3 Q00526 3/20 0.55
CDK6 Q00534 2/20 0.55
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 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
SCHEMBL7847688 0.84 KDM4E (0.44) CDK9CCNA2CDK2CCNA1CCNT1
SCHEMBL7846659 0.82 HSP90AA1 (0.49) CDK9CCNA2CDK2CCNA1CCNT1
SCHEMBL12953039 0.82 PDE10A (0.53) CDK9CCNA2CDK2CCNA1CCNT1
SCHEMBL5451848 0.82 CCNT1 (0.57) CDK9CCNT1ALDH1A1KDM4EMEN1
SCHEMBL5452156 0.78 ALDH1A1 (0.56) CCNA2CDK2CCNA1CCNE1ALDH1A1
SCHEMBL30443126 0.77 CCR1 (0.47) CDK9CCNA2CDK2CCNA1CCNT1
SCHEMBL7846570 0.76 ALDH1A1 (0.68) CCNA2CDK2CCNA1CCNE1ALDH1A1
SCHEMBL7849116 0.76 ALDH1A1 (0.51) CDK9CCNA2CDK2CCNA1CCNT1
SCHEMBL7847041 0.75 S100A4 (0.56) CDK2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4431791 0.74 ALDH1A1 (0.50) CCNA2CDK2CCNA1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP disclosed