SCHEMBL28928811

SCHEMBL28928811

Nc1ccc(-c2cn(C3CCC(O)CC3)c3ncnc(N)c23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.71
ABL1 P00519 9/20 0.71
ABL2 P42684 9/20 0.71
SRC P12931 11/20 0.71
RIPK2 O43353 6/20 0.69
LCK P06239 3/20 0.66
KDR P35968 3/20 0.66
TEK Q02763 3/20 0.66
PRKD3 O94806 1/20 0.66
PRKCG P05129 1/20 0.66
PRKCB P05771 1/20 0.66
PRKCA P17252 1/20 0.66
PRKCH P24723 1/20 0.66
PRKCI P41743 1/20 0.66
PRKCE Q02156 1/20 0.66
PRKCQ Q04759 1/20 0.66
PRKCZ Q05513 1/20 0.66
PRKCD Q05655 1/20 0.66
PRKD1 Q15139 1/20 0.66
KDM4E B2RXH2 1/20 0.59

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
SCHEMBL28928810 1.00 EGFR (0.71) EGFRABL1ABL2SRCRIPK2
SCHEMBL20351628 0.94 SRC (0.80) EGFRABL1ABL2SRCRIPK2
SCHEMBL18044541 0.89 SRC (0.81) EGFRABL1ABL2SRCRIPK2
SCHEMBL28669568 0.88 EGFR (0.56) EGFRABL1ABL2SRCRIPK2
SCHEMBL28669572 0.88 EGFR (0.56) EGFRABL1ABL2SRCRIPK2
SCHEMBL2075318 0.86 SRC (0.89) EGFRABL1ABL2SRCLCK
SCHEMBL20351800 0.85 SRC (0.74) EGFRABL1ABL2SRCRIPK2
SCHEMBL20351777 0.84 SRC (0.66) EGFRABL1ABL2SRCRIPK2
SCHEMBL8930209 0.83 EGFR (1.00) EGFRABL1ABL2SRCRIPK2
SCHEMBL16752298 0.83 SRC (0.77) EGFRABL1ABL2SRCRIPK2

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-113683629-B Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2023-07-04 CN disclosed
CN-113683629-A Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2021-11-23 CN disclosed