SCHEMBL29940228

SCHEMBL29940228

Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)NCC4)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 6/20 0.67
▸ DDR1 Q08345 8/20 0.63
▸ DDR2 Q16832 5/20 0.63
▸ NTRK3 Q16288 4/20 0.63
▸ NTRK1 P04629 3/20 0.63
▸ NTRK2 Q16620 3/20 0.63
▸ ABL1 P00519 4/20 0.61
▸ KIT P10721 2/20 0.61
▸ PDGFRB P09619 1/20 0.61
▸ EPHB2 P29323 1/20 0.61
▸ LDLR P01130 1/20 0.61
▸ PCSK9 Q8NBP7 1/20 0.61
▸ BCR P11274 3/20 0.58
▸ MUSK O15146 1/20 0.58
▸ CDK11B P21127 1/20 0.58
▸ EPHA8 P29322 1/20 0.58
▸ CDK11A Q9UQ88 1/20 0.58
▸ MAP3K7 O43318 1/20 0.57
▸ MAP4K2 Q12851 1/20 0.57

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
SCHEMBL27081838 1.00 NR2E1 (0.67) NR2E1DDR1DDR2NTRK3NTRK1
SCHEMBL27081940 0.89 KDM4E (0.63) NR2E1DDR1DDR2NTRK3NTRK1
SCHEMBL27289164 0.88 DDR1 (0.58) NR2E1DDR1DDR2NTRK3NTRK1
SCHEMBL13659898 0.83 NR2E1 (0.77) NR2E1ABL1KITPDGFRBEPHB2
SCHEMBL20503056 0.83 NR2E1 (0.84) NR2E1DDR1DDR2NTRK3NTRK1
SCHEMBL27081728 0.82 NR2E1 (0.65) NR2E1DDR1DDR2NTRK3NTRK1
SCHEMBL31729797 0.82 NR2E1 (0.82) NR2E1DDR1DDR2NTRK3NTRK1
SCHEMBL31729830 0.81 NR2E1 (0.74) NR2E1DDR1DDR2NTRK3NTRK1
SCHEMBL31729819 0.81 NR2E1 (0.81) NR2E1DDR1DDR2ABL1KIT
SCHEMBL29561954 0.81 NR2E1 (1.00) NR2E1ABL1KITPDGFRBEPHB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313292-A1 INDOLINE DERIVATIVES AS DDR1 AND DDR2 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-02-07 — — EP disclosed
EP-4313972-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-02-07 — — EP disclosed
CN-117062812-A Indoline derivatives as DDR inhibitors 奇斯药制品公司 2023-11-14 — — CN disclosed
WO-2022200577-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-29 — — WO disclosed
WO-2022200576-A1 INDOLINE DERIVATIVES AS DDR1 AND DDR2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-29 — — WO disclosed
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