SCHEMBL29328443

SCHEMBL29328443

Cc1[nH]c2nc(N)cnc2c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 5/20 0.33
ABL1 P00519 1/20 0.33
PRKCA P17252 1/20 0.33
ABL2 P42684 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
AKR1B1 P15121 2/20 0.31

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
SCHEMBL15752003 0.73 KDM4E (0.46) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL11985805 0.70 CCNB2 (0.50) KDM4EMAPTEGFRABL1PRKCA
SCHEMBL23047217 0.69 PDK2 (0.43) KDM4EALDH1A1MAPTGAAEGFR
SCHEMBL8324129 0.68 ADORA1 (0.54) KDM4ELMNAMAPTGAAKMT2A
SCHEMBL1773124 0.63 EGFR (0.36) EGFRABL1PRKCAABL2
SCHEMBL25207314 0.63 RET (0.41) KDM4EALDH1A1MAPTGAAPKM
SCHEMBL30060684 0.61
SCHEMBL2033970 0.61
SCHEMBL8802419 0.61 EGFR (0.37) EGFRABL1PRKCAABL2
SCHEMBL23332994 0.60 ADK (0.36) ADORA2AADORA1

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
WO-2024148087-A1 CDK2 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2024-07-11 WO disclosed