SCHEMBL29084047

SCHEMBL29084047

CN1CCN(C2CCN(c3ccc(Nc4ncc(Br)c(Nc5cc(F)ccc5C(C)(C)O)n4)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ EGFR P00533 13/20 0.51
▸ WEE1 P30291 2/20 0.50
▸ FGFR1 P11362 2/20 0.50
▸ PLK1 P53350 1/20 0.47
▸ INSR P06213 1/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ ALK Q9UM73 1/20 0.46
▸ TNK2 Q07912 1/20 0.46

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
SCHEMBL29084074 0.91 ALK (0.51) PDGFRBPDGFRAEGFRWEE1FGFR1
SCHEMBL29083991 0.90 ALK (0.50) PDGFRBPDGFRAEGFRWEE1FGFR1
SCHEMBL29084068 0.90 EGFR (0.55) PDGFRBPDGFRAEGFRWEE1FGFR1
SCHEMBL29083947 0.89 ALK (0.62) PDGFRBPDGFRAEGFRWEE1FGFR1
SCHEMBL29084119 0.88 EGFR (0.55) EGFRFGFR1
SCHEMBL29083999 0.88 EGFR (0.53) EGFRWEE1FGFR1
SCHEMBL29083958 0.86 EGFR (0.52) EGFRFGFR1
SCHEMBL29084076 0.86 EGFR (0.53) PDGFRBPDGFRAEGFRINSRIGF1R
SCHEMBL29084093 0.85 EGFR (0.48) PDGFRBPDGFRAEGFRPLK1INSR
SCHEMBL29084102 0.84 EGFR (0.55) EGFRPLK1INSRIGF1RALK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 — — CN claimed
WO-2022206797-A1 EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2022-10-06 — — WO claimed
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 — — CN disclosed
WO-2022206797-A1 EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2022-10-06 — — WO disclosed
Send feedback