SCHEMBL31324932

SCHEMBL31324932

CC(=O)c1cnc(Cl)nc1NC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
AXL P30530 2/20 0.50
SYK P43405 9/20 0.46
MAPK8 P45983 3/20 0.44
NR2F2 P24468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
S1PR2 O95136 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
XBP1 P17861 1/20 0.43
RAB9A P51151 1/20 0.43
PPP1CA P62136 1/20 0.43
FLT3 P36888 3/20 0.42
TYRO3 Q06418 3/20 0.42
MERTK Q12866 3/20 0.42

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
SCHEMBL31360739 1.00 KMT2A (0.57) KMT2AAXLSYKMAPK8NR2F2
SCHEMBL13518145 0.87 KMT2A (0.58) KMT2AAXLSYKMAPK8NR2F2
SCHEMBL28533353 0.86 KMT2A (0.55) KMT2AAXLSYKMAPK8NR2F2
SCHEMBL13518131 0.86 KMT2A (0.61) KMT2AAXLSYKMAPK8NR2F2
SCHEMBL20299364 0.86 KMT2A (0.61) KMT2AAXLSYKMAPK8FLT3
SCHEMBL30496647 0.86 SYK (0.61) KMT2ASYKMAPK8
SCHEMBL26919488 0.86 SYK (0.61) KMT2ASYKMAPK8
Fluoride SCHEMBL13518132 0.86 KMT2A (0.57) KMT2AAXLSYKMAPK8FLT3
SCHEMBL28753088 0.85 KMT2A (0.51) KMT2AAXLSYKMAPK8NR2F2
SCHEMBL29526968 0.84 MAPK8 (0.61) KMT2ASYKMAPK8

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
CN-119504739-A Novel method for synthesizing palbociclin 江苏权正检验检测有限公司 2025-02-25 CN claimed
CN-119504739-A Novel method for synthesizing palbociclin 江苏权正检验检测有限公司 2025-02-25 CN disclosed