SCHEMBL29626795

SCHEMBL29626795

NC(=O)c1cccc(-c2cn[nH]n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.63
IDO1 P14902 9/20 0.58
KEAP1 Q14145 1/20 0.55
SIRT3 Q9NTG7 1/20 0.53
CCNT1 O60563 1/20 0.50
CCND1 P24385 1/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
CCNH P51946 1/20 0.50
MNAT1 P51948 1/20 0.50
CDK6 Q00534 1/20 0.50
PIM1 P11309 1/20 0.49
KDM4E B2RXH2 1/20 0.49
KDM4A O75164 1/20 0.49
KDM5C P41229 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49

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
SCHEMBL28741907 1.00 METAP2 (0.63) METAP2IDO1KEAP1SIRT3CCNT1
SCHEMBL28741959 0.81 METAP2 (0.61) METAP2IDO1KEAP1SIRT3XDH
SCHEMBL4318387 0.80 METAP2 (0.55) METAP2IDO1KEAP1SIRT3KDM4E
SCHEMBL28741748 0.80 IDO1 (0.58) METAP2IDO1KEAP1SIRT3CDK8
SCHEMBL3663278 0.79 CCNT1 (0.52) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL31422694 0.78 PARP1 (0.64) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL2431097 0.78 PARP1 (0.64) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL5004755 0.77 METAP2 (1.00) METAP2IDO1KEAP1SIRT3KDM4E
SCHEMBL28303592 0.77 CCNT1 (0.50) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL6999225 0.76 DHODH (0.63) CCNT1CCND1CCNCCDK8CDK7

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
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed