SCHEMBL7846049

SCHEMBL7846049

CCCCc1cc(N(C)C(=O)c2cc(OC)c(OC)c(OC)c2)n2nccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
HSD17B10 Q99714 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK10 P53779 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
CRHR1 P34998 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 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
SCHEMBL7847494 0.91 CCNT1 (0.40) CCNT1CDK7CDK9CCNHKDM4E
SCHEMBL3421020 0.80 BRD4 (0.48) CCNT1CDK7CDK9CCNHHSD17B10
SCHEMBL7003833 0.74 MEN1 (0.45) CCNT1CDK7CDK9CCNHHSD17B10
SCHEMBL7003831 0.74 MEN1 (0.45) CCNT1CDK7CDK9CCNHHSD17B10
SCHEMBL6998414 0.73 CDK7 (0.39) CCNT1CDK7CDK9CCNHKDM4E
SCHEMBL6998422 0.73 CDK7 (0.39) CCNT1CDK7CDK9CCNHKDM4E
SCHEMBL6998419 0.73 CDK7 (0.39) CCNT1CDK7CDK9CCNHKDM4E
SCHEMBL7003771 0.73 CCNT1 (0.42) CCNT1CDK7CDK9CCNH
SCHEMBL7003766 0.73 CCNT1 (0.42) CCNT1CDK7CDK9CCNH
SCHEMBL6998608 0.72 ABCB1 (0.39) ABCB1KDM4EMAPK10NPC1ALDH1A1

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