SCHEMBL13858288

SCHEMBL13858288

O=Nc1ccnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
CYP2C9 P11712 7/20 0.44
PTGS2 P35354 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP2C19 P33261 3/20 0.39
CYP2C18 P33260 3/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C8 P10632 1/20 0.37
HTT P42858 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL29662378 0.79 POLB (0.47) POLBCYP2C9HIF1ACYP2C19CYP2C18
SCHEMBL17902788 0.72 MAPK9 (0.47) POLBCYP2C9PTGS2LMNACYP3A4
SCHEMBL27906302 0.68 POLB (0.57) POLBCYP2C9CYP2C19CYP2C18LMNA
SCHEMBL255499 0.68 POLB (0.57) POLBCYP2C9CYP2C19CYP2C18LMNA
SCHEMBL8674209 0.68 POLB (0.57) POLBCYP2C9HIF1ACYP2C19CYP2C18
SCHEMBL411379 0.68 POLB (0.57) POLBCYP2C9CYP2C19CYP2C18LMNA
SCHEMBL5318677 0.68 POLB (0.57) POLBCYP2C9HIF1ACYP2C19CYP2C18
SCHEMBL5579308 0.68 POLB (0.57) POLBCYP2C9CYP2C19CYP2C18LMNA
SCHEMBL7082394 0.68 POLB (0.57) POLBCYP2C9HIF1ACYP2C19CYP2C18
SCHEMBL17227421 0.68 POLB (0.57) POLBCYP2C9HIF1ACYP2C19CYP2C18

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329246-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors 阵列生物制药公司 2021-02-26 CN disclosed
CN-108329246-A Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors 阵列生物制药公司 2018-07-27 CN disclosed
CN-105130967-B Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors 阵列生物制药公司 2018-04-17 CN disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 WO disclosed