SCHEMBL28995775

SCHEMBL28995775

Brc1cc2nc(C3CC3)[nH]c2cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTR2B P41595 4/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NPY5R Q15761 1/20 0.34

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
SCHEMBL15159431 0.81 NPC1 (0.52) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL30390480 0.78 NPY5R (0.45) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL17048070 0.72 NPC1 (0.54) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL16609509 0.72 NPC1 (0.50) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL16609461 0.72 NPY5R (0.44) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL16599521 0.72 NPY5R (0.44) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL16599668 0.72 NPC1 (0.50) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL28995798 0.72 SMN1; SMN2 (0.49) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL30490193 0.71 NPC1 (0.45) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL7033840 0.71 MAPT (0.63) NPC1RAB9AMAPTKDM4EGFER

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-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 — — CN disclosed
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