SCHEMBL28645231

SCHEMBL28645231

Cc1cc(C)cc(-c2cnc(Nc3ccc(N(C)CCN(C)C)cc3)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ BRAF P15056 4/20 0.42
▸ CCNT1 O60563 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ WEE1 P30291 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ IGF1R P08069 1/20 0.36
▸ PLK1 P53350 1/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ CDK1 P06493 4/20 0.34
▸ KDR P35968 4/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ NOS1 P29475 1/20 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
SCHEMBL28637028 0.88 BRAF (0.45) FGFR4EGFRBRAFCCNT1CDK9
SCHEMBL28652402 0.84 CHEK1 (0.49) FGFR4EGFRBRAFCCNT1CDK9
SCHEMBL28637030 0.82 BRAF (0.43) FGFR4EGFRBRAFCCNT1CDK9
SCHEMBL28645228 0.82 BRAF (0.44) FGFR4EGFRBRAFCCNT1CDK9
SCHEMBL28632697 0.81 NTRK1 (0.45) FGFR4EGFRBRAFCCNT1CDK9
SCHEMBL28924728 0.81 WEE1 (0.44) FGFR4EGFRBRAFWEE1IGF1R
SCHEMBL28643660 0.80 FGFR4 (0.39) FGFR4EGFRBRAFCCNT1CDK9
SCHEMBL28643653 0.80 IKBKB (0.44) FGFR4EGFRBRAFCCNT1CDK9
SCHEMBL28637026 0.80 BRAF (0.48) FGFR4EGFRBRAFCDK4CCND1
SCHEMBL28650920 0.79 FGFR4 (0.58) FGFR4EGFRBRAFWEE1IGF1R

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-113354622-B P-phenylenediamine LSD1 inhibitor and preparation method thereof 沈阳药科大学 2022-11-01 — — CN disclosed
CN-113354622-A P-phenylenediamine LSD1 inhibitor and preparation method thereof 沈阳药科大学 2021-09-07 — — CN disclosed
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