SCHEMBL30556289

SCHEMBL30556289

CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(-c5c[nH]c6ccccc56)n4)cc3Cl)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.70
▸ CDK1 P06493 2/20 0.62
▸ KDR P35968 2/20 0.62
▸ CDK2 P24941 3/20 0.56
▸ IGF1R P08069 1/20 0.56
▸ DYRK1B Q9Y463 1/20 0.56
▸ JUN P05412 1/20 0.56
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ CCNT1 O60563 1/20 0.55
▸ CCNK O75909 1/20 0.55
▸ CCNE1 P24864 1/20 0.55
▸ CDK9 P50750 1/20 0.55
▸ CDK12 Q9NYV4 1/20 0.55
▸ ALK Q9UM73 1/20 0.54
▸ JAK2 O60674 3/20 0.52
▸ JAK3 P52333 3/20 0.52
▸ JAK1 P23458 2/20 0.52
▸ TYK2 P29597 2/20 0.52

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
SCHEMBL22104361 1.00 EGFR (0.70) EGFRCDK1KDRCDK2IGF1R
SCHEMBL30556290 0.94 EGFR (0.62) EGFRCDK1KDRCDK2IGF1R
SCHEMBL22104432 0.94 EGFR (0.62) EGFRCDK1KDRCDK2IGF1R
SCHEMBL22104351 0.91 EGFR (0.59) EGFRCDK1KDRCDK2CCNT1
SCHEMBL30556258 0.91 EGFR (0.59) EGFRCDK1KDRCDK2CCNT1
SCHEMBL22089721 0.91 EGFR (0.64) EGFRCDK1KDRCDK2IGF1R
SCHEMBL30556296 0.91 EGFR (0.64) EGFRCDK1KDRCDK2IGF1R
SCHEMBL22104579 0.90 EGFR (0.74) EGFRCDK1KDRCDK2JUN
SCHEMBL22089640 0.87 EGFR (0.54) EGFRCDK1KDRCDK2IGF1R
SCHEMBL30556292 0.87 EGFR (0.54) EGFRCDK1KDRCDK2IGF1R

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
CN-113166110-B 2-aminopyrimidine compound and application thereof 暨南大学 2023-08-11 — — CN disclosed
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