Sugi Predict

Sugi Predict / Compounds / SCHEMBL4191908

SCHEMBL4191908

SCHEMBL4191908

CCCCCn1c(CC=O)cc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.54
▸ SYK P43405 6/20 0.53
▸ ALK Q9UM73 3/20 0.51
▸ CDK4 P11802 2/20 0.48
▸ CCND1 P24385 2/20 0.48
▸ CCND2 P30279 2/20 0.48
▸ CCND3 P30281 2/20 0.48

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
SCHEMBL4199224 0.90 SYK (0.54) JAK3SYKALKCDK4CCND1
SCHEMBL4191465 0.88 JAK3 (0.56) JAK3SYKALKCDK4CCND1
SCHEMBL4189778 0.86 SYK (0.55) JAK3SYKALKCDK4CCND1
SCHEMBL4190104 0.84 SYK (0.53) JAK3SYKALKCDK4CCND1
SCHEMBL4191957 0.83 CDK4 (0.49) JAK3CDK4CCND1CCND2CCND3
SCHEMBL4195626 0.82 WEE1 (0.48) JAK3CDK4CCND1CCND2CCND3
SCHEMBL4191077 0.81 CDK4 (0.44) JAK3CDK4CCND1CCND2CCND3
SCHEMBL4202306 0.80 SYK (0.56) JAK3SYKALKCDK4CCND1
SCHEMBL4191302 0.79 SYK (0.55) JAK3SYKALKCDK4CCND1
SCHEMBL4186979 0.78 CDK4 (0.51) JAK3CDK4CCND1CCND2CCND3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 — — EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 — — WO disclosed