SCHEMBL20116807

SCHEMBL20116807

CNc1cc(-c2noc(C3CCN(C(=O)CN)CC3(F)F)n2)ccc1C(C)=N

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.39
CPT1A P50416 1/20 0.36
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMO Q99835 1/20 0.35

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
SCHEMBL20116821 0.92 KIT (0.39) KITCPT1ALMNAALOX15TSHR
SCHEMBL20676518 0.90 KIT (0.38) KITCPT1ALMNAALOX15TSHR
SCHEMBL20117282 0.87 LDHA (0.41) KITCPT1ALMNAALOX15TSHR
SCHEMBL20676452 0.86 KIT (0.37) KITCPT1ALMNATSHR
SCHEMBL20116667 0.77 SCD5 (0.37) KITLMNAALOX15TSHRMAPK1
SCHEMBL20676492 0.76 KIT (0.36) KIT
SCHEMBL22358399 0.76 KIT (0.36) KIT
SCHEMBL20676708 0.75 LMNA (0.48) LMNAALOX15TSHRMAPK1SMO
SCHEMBL20116750 0.74 LMNA (0.47) LMNAALOX15TSHRMAPK1SMO
SCHEMBL20116696 0.71 SCD5 (0.36) KITLMNAALOX15TSHRMAPK1

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed