SCHEMBL17340341

SCHEMBL17340341

CC=C(C)c1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.53
▸ ROS1 P08922 7/20 0.53
▸ FLT3 P36888 7/20 0.53
▸ ALK Q9UM73 6/20 0.53
▸ EML4 Q9HC35 5/20 0.53
▸ SLC2A1 P11166 1/20 0.50
▸ CDK4 P11802 3/20 0.49
▸ CDK6 Q00534 3/20 0.49
▸ AURKA O14965 1/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ CCND3 P30281 1/20 0.49
▸ EGFR P00533 6/20 0.49
▸ CCNT1 O60563 3/20 0.48
▸ CDK9 P50750 3/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ TTK P33981 1/20 0.48
▸ PIM2 Q9P1W9 1/20 0.48
▸ CCND1 P24385 2/20 0.47
▸ CDK11A Q9UQ88 2/20 0.47

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
SCHEMBL282875 0.90 RET (0.55) RETROS1FLT3ALKEML4
SCHEMBL10127376 0.83 EML4 (0.67) RETROS1FLT3ALKEML4
SCHEMBL10128020 0.83 RET (0.69) RETROS1FLT3ALKEML4
SCHEMBL10127384 0.82 RET (0.54) RETROS1FLT3ALKEML4
SCHEMBL10128030 0.81 RET (0.61) RETROS1FLT3ALKEML4
SCHEMBL15134661 0.80 EML4 (0.63) RETROS1FLT3ALKEML4
SCHEMBL17690587 0.79 SLC2A1 (0.58) RETROS1FLT3ALKEML4
SCHEMBL28891673 0.78 RET (0.58) RETROS1FLT3ALKEML4
SCHEMBL29875589 0.78 RET (0.58) RETROS1FLT3ALKEML4
SCHEMBL25562764 0.77 RET (0.63) RETROS1FLT3ALKEML4

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-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 — — EP disclosed
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