SCHEMBL17994178

SCHEMBL17994178

CC(C)(C)N(C(=O)O)C1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Cl)n3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.48
▸ PTK2 Q05397 4/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ ALK Q9UM73 1/20 0.46
▸ FGFR1 P11362 4/20 0.46
▸ LCK P06239 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ SYK P43405 2/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ KIT P10721 2/20 0.43
▸ FLT3 P36888 2/20 0.43
▸ WEE1 P30291 1/20 0.43

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
SCHEMBL12478984 0.83 PTK2 (0.49) JAK2PTK2JAK3FGFR1LCK
SCHEMBL12478815 0.81 ALK (0.55) JAK2PTK2JAK3ALKFGFR1
SCHEMBL14643155 0.80 SYK (0.47) JAK2PTK2JAK3ALKFGFR1
SCHEMBL15568488 0.80 PTK2 (0.78) PTK2
SCHEMBL15568490 0.80 PTK2 (0.49) PTK2JAK3LCKCDK4CCND1
SCHEMBL29520512 0.78 BRD4 (0.65) PTK2ALKLCKCDK4CCND1
SCHEMBL29037695 0.78 BRD4 (0.65) PTK2ALKLCKCDK4CCND1
SCHEMBL24731745 0.78 JAK3 (0.55) JAK2JAK3ALKFGFR1CDK4
SCHEMBL12478994 0.78 CCND3 (0.63) JAK2PTK2JAK3ALKCDK4
SCHEMBL29989713 0.77 JAK2 (0.61) JAK2FGFR1SYKBRD4FLT3

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
US-9421205-B2 FAK inhibitors Cancer Therapeutics CRC Pty Ltd. (AU) 2016-08-23 — — US disclosed
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