SCHEMBL29897403

SCHEMBL29897403

Cc1cccc(F)c1-c1cc(Br)cc2cnccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.38
F3 P13726 2/20 0.38
KDR P35968 2/20 0.36
PRKCZ Q05513 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRKCH P24723 2/20 0.35
PRKCE Q02156 2/20 0.35
PRKCQ Q04759 2/20 0.35
PRKCD Q05655 2/20 0.35
PRKCB P05771 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL23301805 1.00 F7 (0.38) F7F3KDRPRKCZLMNA
SCHEMBL23301507 0.81 ALOX5AP (0.40)
SCHEMBL29897405 0.81 ALOX5AP (0.40)
SCHEMBL29897440 0.79 PRKCZ (0.43) F7F3PRKCZLMNACYP1A2
SCHEMBL23301129 0.79 PRKCZ (0.43) F7F3PRKCZLMNACYP1A2
SCHEMBL23301031 0.75 LMNA (0.46) F7F3PRKCZLMNACYP1A2
SCHEMBL29897356 0.75 LMNA (0.46) F7F3PRKCZLMNACYP1A2
SCHEMBL29672398 0.73 IMPDH2 (0.42) PRKCZLMNACYP1A2CYP3A4CYP2D6
SCHEMBL29930315 0.69 MAP4K1 (0.49) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23301086 0.68 F7 (0.45) F7F3LATS1LATS2F10

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-4051664-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS Cancer Research Technology Limited (GB) 2022-09-07 EP disclosed