SCHEMBL29403796

SCHEMBL29403796

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc2cc(-c3cccnc3)cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNT1 Q5JUK3 1/20 0.48
▸ NTRK1 P04629 5/20 0.47
▸ LMNA P02545 2/20 0.43
▸ NAMPT P43490 3/20 0.42
▸ ABL1 P00519 6/20 0.42
▸ EGFR P00533 2/20 0.42
▸ PDGFRB P09619 2/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ CYP2A6 P11509 1/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ BCR P11274 3/20 0.41
▸ ESYT2 A0FGR8 1/20 0.41
▸ PLEKHG3 A1L390 1/20 0.41
▸ NBAS A2RRP1 1/20 0.41
▸ CNOT1 A5YKK6 1/20 0.41
▸ TBKBP1 A7MCY6 1/20 0.41
▸ MYO1G B0I1T2 1/20 0.41
▸ AGPS O00116 1/20 0.41
▸ MYO1F O00160 1/20 0.41
▸ SNAP23 O00161 1/20 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
SCHEMBL22659854 1.00 KCNT1 (0.48) KCNT1NTRK1LMNANAMPTABL1
SCHEMBL29406420 0.91 NTRK1 (0.47) NTRK1LMNABRAFMAPK14
SCHEMBL24571213 0.91 NTRK1 (0.47) NTRK1LMNABRAFMAPK14
SCHEMBL24571216 0.90 KCNT1 (0.46) KCNT1NTRK1EGFRPDGFRBPDGFRA
SCHEMBL22659319 0.89 HPGDS (0.42) KCNT1NTRK1IGF1RBRAFDYRK1A
SCHEMBL29405919 0.89 HPGDS (0.42) KCNT1NTRK1IGF1RBRAFDYRK1A
SCHEMBL22659317 0.88 KCNT1 (0.47) KCNT1NTRK1LMNAABL1PDGFRB
SCHEMBL22659076 0.87 WDR5 (0.45) KCNT1NTRK1BRAFWDR5MAPK14
SCHEMBL22659822 0.87 LCK (0.45) LMNALCKPARP1BRAFATM
SCHEMBL22659814 0.86 STIM1 (0.44) KCNT1NTRK1

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-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 — — EP disclosed
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