SCHEMBL26611568

SCHEMBL26611568

COc1cc(N2CCC(N3CCCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2CN[SH](=O)=O)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.74
▸ INSR P06213 13/20 0.71
▸ IGF1R P08069 13/20 0.71
▸ ALK Q9UM73 13/20 0.71
▸ CHEK1 O14757 1/20 0.63
▸ AURKA O14965 1/20 0.63
▸ NUAK1 O60285 1/20 0.63
▸ JAK2 O60674 1/20 0.63
▸ STK10 O94804 1/20 0.63
▸ PRKD3 O94806 1/20 0.63
▸ SLC34A2 O95436 1/20 0.63
▸ CHEK2 O96017 1/20 0.63
▸ ABL1 P00519 1/20 0.63
▸ CD74 P04233 1/20 0.63
▸ ERBB2 P04626 1/20 0.63
▸ LCK P06239 1/20 0.63
▸ FYN P06241 1/20 0.63
▸ FES P07332 1/20 0.63
▸ CSF1R P07333 1/20 0.63
▸ YES1 P07947 1/20 0.63

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
SCHEMBL26612055 0.94 EGFR (0.75) EGFRINSRIGF1RALKCHEK1
SCHEMBL26612137 0.94 ALK (0.72) EGFRINSRIGF1RALKCHEK1
SCHEMBL26611456 0.93 EGFR (0.74) EGFRINSRIGF1RALKCHEK1
SCHEMBL26611923 0.92 EGFR (0.76) EGFRINSRIGF1RALK
SCHEMBL26611721 0.91 EGFR (0.77) EGFRINSRIGF1RALKCHEK1
SCHEMBL26611614 0.91 ALK (0.62) EGFRINSRIGF1RALKCHEK1
SCHEMBL26611925 0.91 EGFR (0.75) EGFRINSRIGF1RALKCHEK1
SCHEMBL26612109 0.90 EGFR (0.73) EGFRINSRIGF1RALKAURKA
SCHEMBL12728591 0.90 ALK (0.72) EGFRINSRIGF1RALKCHEK1
SCHEMBL26611766 0.90 EGFR (0.76) EGFRINSRIGF1RALK

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
EP-3640246-B1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-11-01 — — EP claimed
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