SCHEMBL29618397

SCHEMBL29618397

CN1CCN(c2ccc(Nc3nccc(-c4cccnc4)n3)cn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.65
CDK2 P24941 1/20 0.65
CCNA1 P78396 1/20 0.65
ZAP70 P43403 1/20 0.62
ACVR1 Q04771 6/20 0.57
ABL1 P00519 5/20 0.57
BCR P11274 4/20 0.57
PRKCA P17252 3/20 0.56
PRKCD Q05655 2/20 0.56
EGFR P00533 1/20 0.56
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
JAK2 O60674 1/20 0.53
PIM1 P11309 1/20 0.52
CDK4 P11802 1/20 0.52

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
SCHEMBL29618396 1.00 CCNA2 (0.65) CCNA2CDK2CCNA1ZAP70ACVR1
SCHEMBL29618440 0.90 ABL1 (0.60) CCNA2CDK2CCNA1ZAP70ACVR1
SCHEMBL29618389 0.89 ACVR1 (0.57) CCNA2CDK2CCNA1ZAP70ACVR1
SCHEMBL29618360 0.88 ACVR1 (0.54) CCNA2CDK2CCNA1ZAP70ACVR1
SCHEMBL29618359 0.88 ACVR1 (0.54) CCNA2CDK2CCNA1ZAP70ACVR1
SCHEMBL29618395 0.87 ACVR1 (0.70) ZAP70ACVR1ABL1BCRPRKCA
SCHEMBL29618422 0.87 JAK2 (0.62) CDK2ZAP70ACVR1ABL1BCR
SCHEMBL29618431 0.87 ACVR1 (0.58) CCNA2CDK2CCNA1ZAP70ACVR1
SCHEMBL7465716 0.87 ACVR1 (0.70) CCNA2CDK2CCNA1ACVR1ABL1
SCHEMBL23245924 0.84 ACVR1 (0.50) CCNA2CDK2CCNA1ZAP70ACVR1

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-114502555-A Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridin-3-yl) pyrimidin-2-amines for the treatment of proliferative diseases and disorders 常州千红生化制药股份有限公司 2022-05-13 CN disclosed