SCHEMBL31585648

SCHEMBL31585648

NC(=O)c1c[nH]c2c(CCC(F)(F)F)cncc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ IKBKB O14920 2/20 0.31
▸ MPO P05164 2/20 0.31
▸ BTK Q06187 1/20 0.30
▸ METAP2 P50579 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
SCHEMBL22050704 0.74 ALDH1A1 (0.41) ALDH1A1ATMPIM1PIM3IKBKB
SCHEMBL28316789 0.64 ALDH1A1 (0.42) ALDH1A1METAP2
SCHEMBL28976417 0.64 PARP1 (0.31) —
SCHEMBL20621867 0.62 CCNC (0.36) ALDH1A1ATMPIM1PIM3IKBKB
SCHEMBL15173466 0.61 ALDH1A1 (0.43) ALDH1A1ATMIKBKB
SCHEMBL22050219 0.61 CSNK2A2 (0.38) ALDH1A1
SCHEMBL29589055 0.61 ALDH1A1 (0.43) ALDH1A1ATMIKBKB
Hydrochloric Acid SCHEMBL30131065 0.60 NTRK1 (0.42) ALDH1A1ATMIKBKB
SCHEMBL22049722 0.60 ALDH1A1 (0.59) ALDH1A1ATMPIM1PIM3
SCHEMBL4223520 0.59 ALDH1A1 (0.48) ALDH1A1ATMPIM1PIM3IKBKB

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
WO-2025106014-A1 COMPOUNDS AND METHODS FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2025-05-22 — — WO disclosed
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