SCHEMBL18942004

SCHEMBL18942004

Nc1nccc(-c2c[nH]c3ncc(-c4cccc(F)c4)cc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 19/20 1.00
CCNA2 P20248 19/20 1.00
CDK2 P24941 19/20 1.00
CDK9 P50750 19/20 1.00
PDPK1 O15530 1/20 0.57
CCNA1 P78396 1/20 0.57
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57
MAP3K14 Q99558 1/20 0.57

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
SCHEMBL18941987 0.88 CCNT1 (1.00) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL1843060 0.88 CCNT1 (0.80) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL18941999 0.88 CCNT1 (1.00) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL12763393 0.88 CCNT1 (0.78) CCNT1CCNA2CDK2CDK9
SCHEMBL18941868 0.87 CCNT1 (1.00) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL18941997 0.85 CCNT1 (1.00) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL1836259 0.84 CCNT1 (0.76) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL18942003 0.82 CCNT1 (1.00) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL18941884 0.81 CCNT1 (0.79) CCNT1CCNA2CDK2CDK9PDPK1
SCHEMBL18941992 0.81 CCNT1 (1.00) CCNT1CCNA2CDK2CDK9MAP3K14

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-3383875-B1 3-PYRIMIDINYL PYRROLO [2,3-B] PYRIDINE AS ANTICANCER AGENTS AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2022-02-09 EP disclosed
WO-2017094026-A1 3-PYRIMIDINYL PYRROLO [2,3-B] PYRIDINE AS NEW ANTICANCER AGENTS AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-06-08 WO disclosed