SCHEMBL25013702

SCHEMBL25013702

CCC1CCN(CCCNC(=O)c2ccc(Nc3nccn4c(-c5ccc(OC)c(F)c5F)cnc34)cc2Cl)CC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EGFR P00533 2/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ MCHR1 Q99705 3/20 0.34
▸ MCHR2 Q969V1 2/20 0.34
▸ TTK P33981 2/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ CYP2C9 P11712 2/20 0.33

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
SCHEMBL24870892 0.87 PTK6 (0.43) PTK6KDM4EGAASMN1; SMN2EGFR
SCHEMBL30171755 0.87 PTK6 (0.43) PTK6KDM4EGAASMN1; SMN2EGFR
SCHEMBL30183416 0.85 PTK6 (0.50) PTK6KDM4EGAASMN1; SMN2EGFR
SCHEMBL24112398 0.83 PTK6 (0.44) PTK6MAPTMCHR1TTKLCK
SCHEMBL22124504 0.82 PTK6 (0.42) PTK6ALKMCHR1TTK
SCHEMBL30171940 0.82 PTK6 (0.51) PTK6EGFRERBB2HTR4LCK
SCHEMBL22122928 0.82 PTK6 (0.51) PTK6EGFRERBB2HTR4LCK
SCHEMBL25450752 0.82 PTK6 (0.41) PTK6KDM4EGAASMN1; SMN2MCHR1
SCHEMBL22123532 0.81 PTK6 (0.42) PTK6EGFRERBB2ALKMCHR1
SCHEMBL22123658 0.81 PTK6 (0.42) PTK6EGFRERBB2ALKMCHR1

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-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
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