SCHEMBL18499162

SCHEMBL18499162

CN(CCO)c1ccc(Nc2cc(-c3ccc4c(c3)NCCCC4)nc3ccnn23)nc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.39
▸ CDK2 P24941 7/20 0.34
▸ CCNE1 P24864 6/20 0.34
▸ DPP4 P27487 1/20 0.32
▸ CCNT1 O60563 2/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RAD52 P43351 2/20 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
SCHEMBL2478607 0.80 SYK (0.59) SYKCDK2CCNE1
SCHEMBL18498988 0.80 SYK (0.40) SYKCDK2CCNE1DPP4CCNT1
SCHEMBL18499161 0.78 TYK2 (0.38) SYKCDK2CCNE1DPP4
SCHEMBL18499163 0.78 TYK2 (0.38) SYKCDK2CCNE1DPP4
SCHEMBL2473718 0.63 SYK (0.45) SYKCDK2CCNE1
SCHEMBL14622374 0.59 ACP1 (0.45) CDK2CCNE1CCNT1CDK9ALDH1A1
SCHEMBL2474068 0.59 JAK2 (0.47) SYKCDK2CCNE1
SCHEMBL2476464 0.59 SYK (0.47) SYKCDK2CCNE1NPC1ALDH1A1
SCHEMBL18498989 0.59 CCND3 (0.41) SYKCDK2DPP4CDK9
SCHEMBL13288359 0.58 SYK (0.59) SYK

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-9567348-B2 Substituted pyrazolo[1,5-a]pyrimidines as Syk inhibitors GILEAD CONNECTICUT, INC. (US) 2017-02-14 — — US disclosed
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