SCHEMBL20731983

SCHEMBL20731983

Nc1ccc(NCc2cccc(Cl)c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.59
MAP4K4 O95819 1/20 0.56
EGFR P00533 3/20 0.49
IGF1R P08069 2/20 0.49
APP P05067 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TP53 P04637 1/20 0.48
HRH4 Q9H3N8 1/20 0.46
CDK1 P06493 1/20 0.45
SRC P12931 1/20 0.45
CCNT1 O60563 1/20 0.45
GRM4 Q14833 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL5652869 0.86 FYN (0.44) FYNMAP4K4
SCHEMBL24729874 0.82 ALDH1A1 (0.52) FYNMAP4K4HDAC3HDAC1HDAC2
SCHEMBL23938205 0.82 HDAC3 (0.51) FYNMAP4K4HDAC3HDAC1HDAC2
SCHEMBL7231916 0.81 FABP1 (0.58) FYNMAP4K4EGFRHDAC3HDAC1
SCHEMBL5648300 0.81 CLK4 (0.47) FYNHRH4TAAR1
SCHEMBL15355682 0.80 KDM1A (0.55) FYNMAP4K4EGFRHDAC3HDAC1
SCHEMBL1290643 0.80 KDM1A (0.55) FYNMAP4K4EGFRHDAC3HDAC1
SCHEMBL1290644 0.80 KDM1A (0.55) FYNMAP4K4EGFRHDAC3HDAC1
Hydrochloric Acid SCHEMBL1290710 0.79 KDM1A (0.54) FYNMAP4K4HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL1290708 0.79 KDM1A (0.54) FYNMAP4K4HDAC3HDAC1HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed
WO-2019032863-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-02-14 WO disclosed