SCHEMBL31091998

SCHEMBL31091998

OC1CN(c2cc(C(F)(F)F)nc3cn[nH]c23)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ METAP2 P50579 4/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL10850431 0.70 NT5E (0.42) ADRB2METAP2
SCHEMBL29640136 0.67 ROCK1 (0.39) MAPK1MEN1KMT2A
SCHEMBL28741988 0.67 HSP90AA1 (0.43) —
SCHEMBL31092002 0.67 HSP90AA1 (0.43) —
SCHEMBL25990429 0.63 HSD17B10 (0.43) MAPK1MEN1KMT2AMAPT
SCHEMBL25242115 0.63 HRH4 (0.43) —
SCHEMBL30954178 0.63 HRH4 (0.43) —
SCHEMBL31614798 0.63 KHK (0.42) MEN1KMT2AMAPT
SCHEMBL31614782 0.63 KHK (0.40) MAPTIDH2
SCHEMBL31092008 0.63 HSP90AA1 (0.37) ADRB2MAPK1ADRA2AHTR2CAXL

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-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 — — CN disclosed
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