SCHEMBL29593305

SCHEMBL29593305

O=C(OCc1ccccc1)N1CCC1c1nc(Br)c2c(Cl)nccn12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
TEC P42680 1/20 0.41
TXK P42681 1/20 0.41
PARP1 P09874 1/20 0.40
GRIN2B Q13224 1/20 0.39
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 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
SCHEMBL21783734 0.95 TEC (0.47) PTGDR2TECTXKTMEM97SIGMAR1
SCHEMBL14651433 0.95 TEC (0.47) PTGDR2TECTXKTMEM97SIGMAR1
SCHEMBL20411768 0.94 TEC (0.45) PTGDR2TECTXKTMEM97SIGMAR1
SCHEMBL28348501 0.86 PREP (0.41) PTGDR2TECTXK
SCHEMBL28348505 0.86 PREP (0.41) PTGDR2TECTXK
SCHEMBL30565889 0.85 BTK (0.42) PTGDR2POLB
SCHEMBL15878607 0.84 PREP (0.39) PTGDR2TMEM97SIGMAR1
SCHEMBL14637258 0.84 TEC (0.56) TECTXK
SCHEMBL14651434 0.84 TEC (0.56) TECTXK
SCHEMBL21056239 0.84 JAK2 (0.46) GRIN2BNPC1RAB9ASMN1; SMN2

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
CN-109715626-B Heterocyclic compounds as FGFR inhibitors 广州诺诚健华医药科技有限公司 2022-04-26 CN disclosed