SCHEMBL4632668

SCHEMBL4632668

O=C(O)Oc1cc2c(NC(=O)c3cccnc3)n[nH]c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 2/20 0.50
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
MAPK1 P28482 1/20 0.46
KCNK3 O14649 1/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
LMNA P02545 2/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ROCK2 O75116 1/20 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
SCHEMBL4633594 0.89 FGFR1 (0.48) CDK7PIM3CCNA2CDK2CCNA1
SCHEMBL4631749 0.86 CDK2 (0.49) CDK7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4631709 0.84 CDK7 (0.54) CDK7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4631794 0.83 AURKA (0.46) CDK7PRKAA1MAPK1KCNK3PIM3
SCHEMBL4632650 0.81 HDAC6 (0.42) CDK7KCNK3PIM1KDM4EKMT2A
SCHEMBL4633322 0.81 SMN1; SMN2 (0.53) CDK7KCNK3KMT2AROCK2TSHR
SCHEMBL4632541 0.80 HPGD (0.42) CDK7KCNK3KMT2ACYP1A2CCNA2
SCHEMBL4633224 0.80 CA1 (0.46) MAPK1KCNK3LMNAKDM4EKMT2A
SCHEMBL4632622 0.79 HDAC6 (0.53) CDK7KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL4775168 0.79 KCNK3 (0.40) CDK7KCNK3PIM3CDK2RAB9A

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
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP claimed