SCHEMBL30675086

SCHEMBL30675086

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)nc2[nH]ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 6/20 1.00
▸ BRAF P15056 8/20 0.64
▸ CSF1R P07333 4/20 0.64
▸ TEK Q02763 2/20 0.58
▸ ABL1 P00519 4/20 0.56
▸ BCR P11274 3/20 0.56
▸ ESYT2 A0FGR8 2/20 0.55
▸ NBAS A2RRP1 2/20 0.55
▸ CNOT1 A5YKK6 2/20 0.55
▸ TBKBP1 A7MCY6 2/20 0.55
▸ AGPS O00116 2/20 0.55
▸ MYO1F O00160 2/20 0.55
▸ SNAP23 O00161 2/20 0.55
▸ AP3B1 O00203 2/20 0.55
▸ PSMD12 O00232 2/20 0.55
▸ BMPR1B O00238 2/20 0.55
▸ PGRMC1 O00264 2/20 0.55
▸ CLIC1 O00299 2/20 0.55
▸ CDC7 O00311 2/20 0.55
▸ IPO5 O00410 2/20 0.55

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
SCHEMBL22024870 1.00 PIKFYVE (1.00) PIKFYVEBRAFCSF1RTEKABL1
SCHEMBL22024551 0.94 PIKFYVE (0.88) PIKFYVEBRAFCSF1RABL1BCR
SCHEMBL22024864 0.92 PIKFYVE (0.85) PIKFYVEBRAFCSF1RTEKPDGFRB
SCHEMBL22024534 0.92 PIKFYVE (0.85) PIKFYVEBRAFCSF1RTEKLCK
SCHEMBL22025017 0.90 PIKFYVE (0.82) PIKFYVEBRAFCSF1RABL1BCR
SCHEMBL22024537 0.90 PIKFYVE (0.82) PIKFYVEBRAFCSF1RTEKPDGFRB
SCHEMBL22024533 0.90 PIKFYVE (0.81) PIKFYVEBRAFCSF1RTEKLMNA
SCHEMBL22024690 0.90 PIKFYVE (0.81) PIKFYVEBRAFCSF1RTEKABL1
SCHEMBL22024700 0.90 PIKFYVE (0.81) PIKFYVEBRAFCSF1RTEKABL1
SCHEMBL22024863 0.89 PIKFYVE (0.80) PIKFYVEBRAFCSF1RTEKPDGFRB

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-116789642-A Tri-aromatic heterocyclic piperazine compound for inducing tumor cell to generate meta death and application thereof 华东师范大学 2023-09-22 — — CN disclosed
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