SCHEMBL18992944

SCHEMBL18992944

CCNc1cccnc1C(=O)NC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.44
▸ SCD O00767 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ FTO Q9C0B1 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38

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
SCHEMBL16676649 0.83 POLB (0.45) BRD4SCDPOLBTDP1PLK1
SCHEMBL28051960 0.82 MKNK1 (0.50) BRD4SCDIDO1PARP1GRM5
SCHEMBL16505468 0.78 BRD4 (0.72) BRD4IDO1GRM5KDM4EALDH1A1
SCHEMBL15966073 0.78 PARP1 (0.52) BRD4PLK1PARP1KDM4EALDH1A1
SCHEMBL29289961 0.77 PARP1 (0.49) BRD4PLK1PARP1GRM5KDM4E
SCHEMBL27481112 0.76 BRD4 (0.50) BRD4SCDIDO1GRM5KDM4E
SCHEMBL7218347 0.75 PARP1 (0.50) BRD4SCDPOLBTDP1PLK1
SCHEMBL30695551 0.74 PLK1 (0.46) PLK1PARP1GRM5KDM4EALDH1A1
SCHEMBL3724024 0.74 EGLN2 (0.60) PLK1PARP1KDM4EALDH1A1EGLN2
SCHEMBL8568914 0.74 PLK1 (0.46) PLK1PARP1GRM5KDM4EALDH1A1

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-3390361-A1 N-PHENYL-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION MODULATORS Incyte Corporation (US) 2018-10-24 — — EP claimed
WO-2017106634-A1 N-PHENYL-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION MODULATORS INCYTE CORPORATION (US) 2017-06-22 — — WO claimed
Send feedback