SCHEMBL29910267

SCHEMBL29910267

Cc1nc(Cl)c2cc(Br)c(=O)n(C)c2n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
RXFP1 Q9HBX9 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 2/20 0.34
JAK2 O60674 1/20 0.34
PAX8 Q06710 1/20 0.34
PIK3CA P42336 6/20 0.34
HAVCR2 Q8TDQ0 3/20 0.31
WEE1 P30291 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL23326638 1.00 KDM4E (0.35) KDM4ERXFP1ALDH1A1HPGDHTT
SCHEMBL25456980 0.81 ADORA2A (0.31) KDM4ERXFP1ALDH1A1HPGDHTT
SCHEMBL29910281 0.81 TLR7 (0.36) KDM4ERXFP1ALDH1A1HPGDHTT
SCHEMBL29861520 0.81 PIK3CA (0.36) KDM4ERXFP1ALDH1A1HPGDHTT
SCHEMBL23326861 0.81 PIK3CA (0.36) KDM4ERXFP1ALDH1A1HPGDHTT
SCHEMBL23326542 0.81 TLR7 (0.36) KDM4ERXFP1ALDH1A1HPGDHTT
SCHEMBL29861864 0.78 RXFP1 (0.40) KDM4ERXFP1ALDH1A1HPGDHTT
SCHEMBL23326645 0.78 RXFP1 (0.40) KDM4ERXFP1ALDH1A1HPGDHTT
SCHEMBL18640848 0.78 ADORA2A (0.33) KDM4ERXFP1ALDH1A1HPGDHTT
SCHEMBL23326744 0.77 HSD17B10 (0.33) KDM4ERXFP1ALDH1A1HPGDHTT

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
CN-116425742-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2023-07-14 CN disclosed
EP-4055017-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-09-14 EP disclosed