SCHEMBL29648670

SCHEMBL29648670

COc1ccc(-c2nc3c4cccc(Br)c4nc(N[C@@H]4CCCCNC4=O)n3n2)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HPGDS O60760 3/20 0.34
ROCK2 O75116 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PROKR1 Q8TCW9 2/20 0.32
PTK2 Q05397 1/20 0.32
PTK2B Q14289 1/20 0.32
ZAP70 P43403 2/20 0.32
SYK P43405 2/20 0.32
PIK3CA P42336 2/20 0.32
EPHX2 P34913 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 1/20 0.31
TACR2 P21452 1/20 0.31
TACR1 P25103 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
SCHEMBL22988389 1.00 KDM4E (0.36) KDM4EHPGDSROCK2ALDH1A1PROKR1
SCHEMBL22980060 1.00 KDM4E (0.36) KDM4EHPGDSROCK2ALDH1A1PROKR1
SCHEMBL22979251 0.91 KDM4E (0.36) KDM4EHPGDSALDH1A1ZAP70SYK
SCHEMBL29648654 0.91 KDM4E (0.36) KDM4EHPGDSALDH1A1ZAP70SYK
SCHEMBL22981097 0.91 KDM4E (0.36) KDM4EHPGDSALDH1A1ZAP70SYK
SCHEMBL29648603 0.91 KDM4E (0.36) KDM4EHPGDSALDH1A1ZAP70SYK
SCHEMBL22979931 0.88 THRB (0.40) KDM4EHPGDSALDH1A1ZAP70SYK
SCHEMBL22979389 0.88 THRB (0.40) KDM4EHPGDSALDH1A1ZAP70SYK
SCHEMBL29648684 0.88 THRB (0.40) KDM4EHPGDSALDH1A1ZAP70SYK
SCHEMBL29648778 0.88 THRB (0.40) KDM4EHPGDSALDH1A1ZAP70SYK

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-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed