SCHEMBL574203

SCHEMBL574203

Cc1c[nH]c(-c2cc(NC(N)=O)cc(C(F)(F)F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.42
▸ NR2E1 Q9Y466 3/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PLCG1 P19174 1/20 0.39
▸ KDR P35968 4/20 0.38
▸ EGFR P00533 3/20 0.38
▸ FGFR1 P11362 3/20 0.38
▸ XPO1 O14980 1/20 0.38
▸ JUN P05412 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ IKBKE Q14164 1/20 0.38

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
SCHEMBL5189113 0.81 KDR (0.48) KDR
SCHEMBL4695628 0.81 MITF (0.49) MAPTNFKB1
SCHEMBL17316222 0.79 ABL1 (0.49) KDR
SCHEMBL3827416 0.78 RXRA (0.44) —
SCHEMBL1567237 0.76 NR2E1 (0.43) NR2E1IKBKB
SCHEMBL4412667 0.76 BTK (0.47) KDR
SCHEMBL4418714 0.75 MAPK14 (0.45) KDRRAF1
SCHEMBL4715500 0.73 FLT3 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3247880 0.73 KDR (0.66) KDRRAF1
SCHEMBL4488889 0.73 MAPT (0.61) KIF11MAPTJUNNFKB1NFKB2

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-2012019015-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-02-09 — — WO disclosed
Send feedback