SCHEMBL17689779

SCHEMBL17689779

CCCCC(=O)c1ncc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.48
▸ MERTK Q12866 3/20 0.48
▸ TYRO3 Q06418 2/20 0.48
▸ GAS6 Q14393 2/20 0.48
▸ RET P07949 6/20 0.47
▸ ROS1 P08922 6/20 0.47
▸ EML4 Q9HC35 4/20 0.47
▸ ALK Q9UM73 4/20 0.47
▸ SYK P43405 4/20 0.45
▸ CCND3 P30281 2/20 0.44
▸ CCNK O75909 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CDK6 Q00534 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10129237 0.88 RET (0.55) FLT3RETROS1EML4ALK
SCHEMBL17690593 0.79 SYK (0.50) FLT3RETROS1EML4ALK
SCHEMBL10129377 0.78 ALK (0.77) FLT3RETROS1EML4ALK
SCHEMBL10129473 0.77 EML4 (0.61) FLT3RETROS1EML4ALK
SCHEMBL10129427 0.76 EML4 (0.59) FLT3RETROS1EML4ALK
SCHEMBL10129238 0.75 EML4 (0.61) FLT3RETROS1EML4ALK
SCHEMBL16541266 0.75 EML4 (0.70) FLT3RETROS1EML4ALK
SCHEMBL10157453 0.74 EML4 (0.61) FLT3RETROS1EML4ALK
SCHEMBL17690651 0.72 ALK (0.64) FLT3RETROS1EML4ALK
SCHEMBL10157513 0.72 EML4 (0.53) FLT3MERTKTYRO3GAS6RET

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
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 — — EP disclosed
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