SCHEMBL29131118

SCHEMBL29131118

O=C(Nc1cccc(-c2ccnc(Cl)n2)c1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.61
ABL1 P00519 1/20 0.55
PDGFRB P09619 1/20 0.55
BCR P11274 1/20 0.55
SRC P12931 1/20 0.55
PDGFRA P16234 1/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.52
TYK2 P29597 4/20 0.51
JAK1 P23458 2/20 0.51
CDK9 P50750 1/20 0.51
JAK3 P52333 1/20 0.51
MAPT P10636 1/20 0.51
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
KMT2A Q03164 1/20 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
SCHEMBL30668832 1.00 JAK2 (0.61) JAK2ABL1PDGFRBBCRSRC
SCHEMBL25699615 0.84 GSK3B (0.61) JAK2TYK2JAK1CDK9JAK3
SCHEMBL1641684 0.80 JAK2 (0.43) JAK2ABL1PDGFRBBCRSRC
SCHEMBL1032453 0.80 ABL1 (0.66) JAK2ABL1PDGFRBBCRSRC
SCHEMBL12726495 0.79 ABL1 (0.50) JAK2ABL1PDGFRBBCRSRC
SCHEMBL13121374 0.79 MAPT (0.52) MAPTKMT2AL3MBTL1
SCHEMBL13120712 0.77 MAPT (0.53) JAK2ABL1PDGFRBBCRSRC
SCHEMBL31380442 0.76 AAK1 (0.52) MAPT
SCHEMBL29580206 0.76 CNR1 (0.49) CDK9MAPTMALT1
SCHEMBL28253313 0.76 CNR1 (0.49) CDK9MAPTMALT1

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-117088851-A Pyrimidine amine NUAK inhibitor and preparation method and application thereof 特科罗生物科技(成都)有限公司 2023-11-21 CN disclosed