SCHEMBL16654073

SCHEMBL16654073

NC(=O)c1ccccc1-c1cc(F)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.50
KDM4C Q9H3R0 1/20 0.48
CSNK1A1 P48729 1/20 0.48
TYRO3 Q06418 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
GRM5 P41594 2/20 0.47
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
CTSA P10619 2/20 0.46
NUDT1 P36639 1/20 0.46
TGFBR1 P36897 2/20 0.46
LMNA P02545 1/20 0.45
TGFBR2 P37173 1/20 0.45
JAK2 O60674 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PARP1 P09874 1/20 0.42
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CDC7 O00311 2/20 0.40

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
SCHEMBL10489526 0.83 BCAT2 (0.51) BCAT2KDM4CCSNK1A1TYRO3DYRK1B
SCHEMBL29974939 0.83 BCAT2 (0.51) BCAT2KDM4CCSNK1A1TYRO3DYRK1B
SCHEMBL28180027 0.81 BCAT2 (0.50) BCAT2KDM4CCSNK1A1TYRO3DYRK1B
SCHEMBL16654017 0.81 KDM4C (0.51) BCAT2KDM4CCSNK1A1TYRO3DYRK1B
SCHEMBL1968501 0.81 BCAT2 (0.46) BCAT2KDM4CCSNK1A1TYRO3DYRK1B
SCHEMBL31249988 0.78 GRM5 (0.64) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL31249984 0.78 GRM5 (0.64) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL29506339 0.78 GRM5 (0.64) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL997865 0.78 GRM5 (0.64) BCAT2CSNK1A1TYRO3DYRK1BGRM5
SCHEMBL16654039 0.78 KDM4C (0.48) BCAT2KDM4CCSNK1A1TYRO3DYRK1B

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
EP-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 EP disclosed
WO-2015057992-A1 BTK INHIBITORS FOR HEMATOPOIETIC MOBILIZATION IZUMI RAQUEL (US) 2015-04-23 WO disclosed