SCHEMBL29206263

SCHEMBL29206263

FC(F)C(F)CNc1nc(Cl)nc2c1ncn2C1CCCCO1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.67
▸ FLT3 P36888 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ADORA3 P0DMS8 3/20 0.45
▸ ADORA1 P30542 3/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 2/20 0.41

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
SCHEMBL4375282 0.84 YTHDC1 (0.65) YTHDC1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL17902904 0.83 YTHDC1 (0.72) YTHDC1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL17902915 0.82 YTHDC1 (0.71) YTHDC1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL28433352 0.82 YTHDC1 (0.74) YTHDC1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL28426649 0.82 YTHDC1 (0.67) YTHDC1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL18588091 0.81 YTHDC1 (0.69) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL17902901 0.81 YTHDC1 (0.79) YTHDC1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL20104998 0.81 YTHDC1 (0.72) YTHDC1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL16549246 0.81 YTHDC1 (0.69) YTHDC1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL28429578 0.81 YTHDC1 (0.69) YTHDC1FLT3NPC1RAB9ASMN1; SMN2

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-111377925-B Purine derivatives, preparation method thereof and application thereof in medicines 四川科伦博泰生物医药股份有限公司 2024-03-12 — — CN disclosed
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