Sugi Predict

Sugi Predict / Compounds / SCHEMBL28805366

SCHEMBL28805366

SCHEMBL28805366

Cc1ccc(Nc2ncc3ccn(-c4ccc(CC(C(=O)C(Cc5ccc(-n6ccc7cnc(Nc8ccc(C)c(C)c8)nc76)cc5)N5CCN(CCO)CC5)N5CCN(CCO)CC5)cc4)c3n2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.43
▸ BRD4 O60885 11/20 0.43
▸ PTK2 Q05397 3/20 0.42
▸ CDK4 P11802 3/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCND2 P30279 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ STAT6 P42226 1/20 0.40
▸ AURKA O14965 2/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL27915943 0.92 JAK2 (0.51) JAK2BRD4PTK2CDK4RPS6KA3
SCHEMBL1654994 0.85 BRD4 (0.55) JAK2BRD4PTK2CDK4CCND1
SCHEMBL4290087 0.85 JAK2 (0.53) JAK2BRD4PTK2CDK4CCND1
SCHEMBL27916064 0.84 JAK2 (0.53) JAK2BRD4CDK4RPS6KA3AURKA
SCHEMBL27934423 0.83 JAK2 (0.55) JAK2BRD4PTK2CDK4RPS6KA3
SCHEMBL27934450 0.81 PTK2 (0.48) JAK2BRD4PTK2RPS6KA3AURKA
SCHEMBL27934454 0.79 WEE1 (0.46) JAK2BRD4CDK4CCND1CCND2
SCHEMBL27915897 0.79 JAK2 (0.57) JAK2BRD4PTK2CDK4RPS6KA3
SCHEMBL27934426 0.78 JAK2 (0.51) JAK2BRD4PTK2CDK4RPS6KA3
SCHEMBL1655850 0.77 BRD4 (0.65) JAK2BRD4CDK4RPS6KA3AURKA

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
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 — — CN disclosed