SCHEMBL30411040

SCHEMBL30411040

Fc1nc(NCc2ccc(Br)cc2)c2ncn(C3CCCCCO3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ FLT3 P36888 4/20 0.53
▸ YTHDC1 Q96MU7 1/20 0.48
▸ CDK1 P06493 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CTSL P07711 4/20 0.44
▸ CYP2C19 P33261 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42

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
SCHEMBL30411056 0.96 NPC1 (0.56) NPC1RAB9ASMN1; SMN2FLT3YTHDC1
SCHEMBL30410355 0.93 NPC1 (0.51) NPC1RAB9ASMN1; SMN2FLT3CDK1
SCHEMBL30409308 0.92 NPC1 (0.61) NPC1RAB9ASMN1; SMN2FLT3YTHDC1
SCHEMBL30410615 0.91 NPC1 (0.62) NPC1RAB9ASMN1; SMN2FLT3YTHDC1
SCHEMBL30410572 0.91 NPC1 (0.59) NPC1RAB9ASMN1; SMN2FLT3YTHDC1
SCHEMBL30410674 0.91 NPC1 (0.59) NPC1RAB9ASMN1; SMN2FLT3YTHDC1
SCHEMBL30409314 0.91 NPC1 (0.59) NPC1RAB9ASMN1; SMN2FLT3YTHDC1
SCHEMBL30410716 0.90 NPC1 (0.72) NPC1RAB9ASMN1; SMN2FLT3YTHDC1
SCHEMBL30409893 0.90 NPC1 (0.60) NPC1RAB9ASMN1; SMN2FLT3YTHDC1
SCHEMBL30410622 0.90 NPC1 (0.60) NPC1RAB9ASMN1; SMN2FLT3YTHDC1

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
EP-4178959-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2023-05-17 — — EP disclosed
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