SCHEMBL3866640

SCHEMBL3866640

CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4C(=O)NC4CCCC4)cn23)s1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.34
TGFBR1 P36897 2/20 0.33
TTK P33981 3/20 0.32
ATR Q13535 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL3855941 0.90 FLT3 (0.37) FLT3TGFBR1
SCHEMBL3844677 0.89 FLT3 (0.37) FLT3
SCHEMBL3866634 0.88 FLT3 (0.38) FLT3TGFBR1TTKATRADORA2A
SCHEMBL3850042 0.86 FLT3 (0.38) FLT3
SCHEMBL3847153 0.81 FLT3 (0.35) FLT3
SCHEMBL3847887 0.75 FLT3 (0.43) FLT3TGFBR1
SCHEMBL3853073 0.75 FLT3 (0.42) FLT3TGFBR1
SCHEMBL3850996 0.75 FLT3 (0.32) FLT3
Hydrochloric Acid SCHEMBL3873523 0.75 FLT3 (0.41) FLT3TGFBR1TTKATRADORA2A
SCHEMBL3845853 0.75 FLT3 (0.36) FLT3TGFBR1

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-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed