SCHEMBL23536712

SCHEMBL23536712

CCc1nnc(N)c2cc(N3CCNCC3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 10/20 0.52
▸ ADRB1 P08588 4/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ C1S P09871 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR5A P47898 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL30493134 0.82 SOS1 (0.51) KHKADRB1C1SHTR6MAPT
SCHEMBL30014316 0.77 KHK (0.45) KHKADRB1HRH4HTR6HTR3E
SCHEMBL5097183 0.73 KHK (0.54) KHKADRB1HTR6HTR3EHTR3B
SCHEMBL30014605 0.71 C1S (0.54) ADRB1KCNH2C1SMAPTRECQL
SCHEMBL26769201 0.70 MAPT (0.52) KHKADRB1HTR6MAPTRECQL
SCHEMBL7256928 0.69 FGFR1 (0.53) KHKADRB1HTR6MAPTRECQL
SCHEMBL2547737 0.68 KHK (1.00) KHK
SCHEMBL682499 0.68 KHK (0.63) KHK
SCHEMBL15244955 0.67 ADRB1 (0.51) KHKADRB1HTR6MAPTHTR3E
SCHEMBL30775562 0.67 IP6K1 (0.76) ADRB1MAPT

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
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 — — EP disclosed
WO-2021127429-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2021-06-24 — — WO disclosed
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